Cas no 150620-32-9 (4-acetyloxybutanoyl 4-acetyloxybutanoate)

4-acetyloxybutanoyl 4-acetyloxybutanoate structure
150620-32-9 structure
Product Name:4-acetyloxybutanoyl 4-acetyloxybutanoate
CAS No:150620-32-9
MF:C12H18O7
MW:274.267124652863
CID:1322669
PubChem ID:14972673
Update Time:2025-04-20

4-acetyloxybutanoyl 4-acetyloxybutanoate Chemical and Physical Properties

Names and Identifiers

    • 4-acetyloxybutanoyl 4-acetyloxybutanoate
    • Butanoic acid, 4-(acetyloxy)-, anhydride
    • ACMC-20n60y
    • AGN-PC-0035QT
    • CTK0E8488
    • AG-D-97320
    • Butanoic acid, 4-(acetyloxy)-, anhydride; ACMC-20n60y; AGN-PC-0035QT; CTK0E8488; AG-D-97320;
    • 4-ACETOXYBUTYRIC ANHYDRIDE
    • DTXSID20566299
    • AKOS030255472
    • 4-(Acetoxy)butanoic anhydride
    • 4-(Acetyloxy)butanoic anhydride
    • 150620-32-9
    • SCHEMBL7029587
    • XJAILBPEAYQACO-UHFFFAOYSA-N
    • Inchi: 1S/C12H18O7/c1-9(13)17-7-3-5-11(15)19-12(16)6-4-8-18-10(2)14/h3-8H2,1-2H3
    • InChI Key: XJAILBPEAYQACO-UHFFFAOYSA-N
    • SMILES: O(C(CCCOC(C)=O)=O)C(CCCOC(C)=O)=O

Computed Properties

  • Exact Mass: 274.10500
  • Monoisotopic Mass: 274.10525291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 12
  • Complexity: 303
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 96?2

Experimental Properties

  • PSA: 95.97000
  • LogP: 0.74280

4-acetyloxybutanoyl 4-acetyloxybutanoate Related Literature

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